#include <gromacs/ewald/pme_gpu_types.h>
Description
A GPU data structure for storing the constant PME data. This only has to be initialized once.
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float |
elFactor |
| Electrostatics coefficient = ONE_4PI_EPS0 / pme->epsilon_r. | |
DeviceBuffer< float > |
d_virialAndEnergy [2] |
| Virial and energy GPU array. Size is c_virialAndEnergyCount (7) floats. The element order is virxx, viryy, virzz, virxy, virxz, viryz, energy. | |
The documentation for this struct was generated from the following file:
Read more here: Source link
